SCHEMBL3754419

SCHEMBL3754419

COc1ccc(-c2ccc(OC)nc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.68
MKNK1 Q9BUB5 1/20 0.63
MKNK2 Q9HBH9 1/20 0.63
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61
PDGFRB P09619 1/20 0.59
PDGFRA P16234 1/20 0.59
PIK3CA P42336 2/20 0.53
PIK3CD O00329 1/20 0.53
PIP5K1C O60331 1/20 0.53
PIK3CB P42338 1/20 0.53
PI4KA P42356 1/20 0.53
PIK3CG P48736 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
ERN1 O75460 3/20 0.51
FYN P06241 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
CYP19A1 P11511 1/20 0.50
NNMT P40261 1/20 0.50
TDO2 P48775 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31174412 1.00 CYP2A6 (0.68) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL1422182 0.89 HSD17B1 (0.67) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL12497850 0.89 MKNK1 (0.59) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL1422493 0.89 MKNK1 (0.59) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL2614940 0.89 CYP2A6 (0.58) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL1422415 0.87 CYP2A6 (0.56) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL13575351 0.87 MKNK1 (0.57) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL13575396 0.87 MKNK1 (0.57) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL968734 0.87 MKNK1 (0.57) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL969720 0.87 MKNK1 (0.57) CYP2A6MKNK1MKNK2HSD17B1HSD17B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 CYP2A6 3092/4885MKNK1 51/4885MKNK2 64/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP CYP2A6 1645/4885MKNK1 1783/4885MKNK2 1528/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 CYP2A6 3092/4885MKNK1 51/4885MKNK2 64/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.